5-methyl-N-[1-[1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide

C24H23F3N4O2 — CID 44528367

IUPAC5-methyl-N-[1-[1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)CCN3C2CCN(Cc3cc(F)cc(F)c3F)C2)no1
InChIInChI=1S/C24H23F3N4O2/c1-14-8-21(29-33-14)24(32)28-18-2-3-22-15(10-18)4-7-31(22)19-5-6-30(13-19)12-16-9-17(25)11-20(26)23(16)27/h2-3,8-11,19H,4-7,12-13H2,1H3,(H,28,32)
InChIKeyQCAHBDSGJLPUBO-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.29
Rot. Bonds5

About 5-methyl-N-[1-[1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[1-[1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide (PubChem CID 44528367) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is 5-methyl-N-[1-[1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide
PubChem CID44528367
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC Name5-methyl-N-[1-[1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)CCN3C2CCN(Cc3cc(F)cc(F)c3F)C2)no1
InChIInChI=1S/C24H23F3N4O2/c1-14-8-21(29-33-14)24(32)28-18-2-3-22-15(10-18)4-7-31(22)19-5-6-30(13-19)12-16-9-17(25)11-20(26)23(16)27/h2-3,8-11,19H,4-7,12-13H2,1H3,(H,28,32)
InChIKeyQCAHBDSGJLPUBO-UHFFFAOYSA-N
XLogP4.29
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-[1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide (CID 44528367) is 5-methyl-N-[1-[1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)CCN3C2CCN(Cc3cc(F)cc(F)c3F)C2)no1.
What is the InChIKey of 5-methyl-N-[1-[1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is QCAHBDSGJLPUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c1-14-8-21(29-33-14)24(32)28-18-2-3-22-15(10-18)4-7-31(22)19-5-6-30(13-19)12-16-9-17(25)11-20(26)23(16)27/h2-3,8-11,19H,4-7,12-13H2,1H3,(H,28,32).
What are the key properties of 5-methyl-N-[1-[1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[1-[1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-[1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 44528367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).